Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVVRSIGKKMQRISGPNALAVKGRPTQVYGHTHVRLDCRFMADSEFTAPEVTQLAEGLHRALSKLISMLRRGDPNGAAAGDLTLAQLSILVTLLDQGPIRMTDLAAHERVRTPTTTVAIRRLEKIGLVKRSRDPSDLRAVLVDITPQGRAVHGESLANRRAALAALLSQLPRSDLETLRKALAPLERLASGEPASGPASNSPARKRA
3S2W Chain:A ((20-157))
------------------------------------------------------DKEFIGKAISYLYRYGQIYIGKKIEPYGIGSGQFPFLMRLYREDGINQESLSDYLKIDKGTTARAIQKLVDEGYVFRQRDE---RSYRVFLTEKGKKLEPDMKKIASEWGEILFSSFDDRQRREITNSLEIMFENGLK----------------
General information:
TITO was launched using:
RESULT:
Template:
3S2W.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -50092 for 853 contacts (-58.7/contact) +
2D Compatibility (PS) -14460 + (NN) -5538 + (LL) 3888
1D Compatibility (HY) -7200 + (ID) 1300
Total energy: -74702.0 ( -87.58 by residue)
QMean score : 0.564
(partial model without unconserved sides chains):
PDB file :
Tito_3S2W.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3S2W-query.scw
PDB file :
Tito_Scwrl_3S2W.pdb
: